Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753910
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H17ClN4O3 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3/c23-14-7-9-15(10-8-14)26-18-5-2-6-19(28)21(18)20(17(12-24)22(26)25)13-3-1-4-16(11-13)27(29)30/h1,3-4,7-11,20H,2,5-6,25H2InChIKey
DEMCZGYBPVKIEY-UHFFFAOYSA-NSynonyms
311331-21-22amino1(4chlorophenyl)4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4chlorophenyl)4(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311331212
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC22H17ClN4O3c23147915(10814)261852619(28)21(18)20(17(1224)22(26)25)1331416(1113)27(29)30h13471120H25625H2
MFCD00824837
N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2
ZINC000001022603
ZINC000001022604
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